Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 4/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 7/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 6/20 | 0.41 |
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.41 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.41 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.41 |
| ▸ | ITGAV | P06756 | 2/20 | 0.38 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7390739 | 0.90 | ITGA4 (0.43) | ITGA4ITGB1ITGB7ITGA5ITGAV | |
| SCHEMBL5608873 | 0.89 | ITGB1 (0.44) | ITGA4ITGB1CACNA1BITGB7ITGA5 | |
| SCHEMBL7408832 | 0.84 | ITGB1 (0.47) | ITGA4ITGB1ITGB7ITGA5ITGA2 | |
| SCHEMBL6429310 | 0.84 | ITGB1 (0.51) | ITGA4ITGB1ITGB7ITGA5ITGAV | |
| SCHEMBL6712483 | 0.83 | ITGA4 (0.57) | ITGA4ITGB1ITGA5ITGAVGAA | |
| SCHEMBL6714478 | 0.83 | ITGA4 (0.43) | ITGA4ITGB1CACNA1BLY96ITGA5 | |
| SCHEMBL3850851 | 0.83 | ALDH1A1 (0.43) | ITGA4ITGB1CACNA1BITGB7GAA | |
| SCHEMBL6709349 | 0.81 | ITGA4 (0.49) | ITGA4ITGB1ITGA5ITGAVGAA | |
| SCHEMBL6714722 | 0.81 | ITGA4 (0.47) | ITGA4ITGB1CACNA1BITGB7ITGA5 | |
| SCHEMBL6367710 | 0.80 | ITGB1 (0.57) | ITGA4ITGB1ITGB7ITGA5 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0994896-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999006437-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS INC. (US) | 1999-02-11 | — | — | WO | disclosed |